Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KCNJ1 | P48048 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10846362 | 0.93 | TSHR (0.51) | TSHRKCNJ1KCNH2LOXL2SIGMAR1 | |
| SCHEMBL8956380 | 0.89 | TSHR (0.58) | TSHRKCNJ1KCNH2LOXL2HRH3 | |
| SCHEMBL3237707 | 0.84 | TSHR (0.56) | TSHRKCNJ1KCNH2LOXL2SIGMAR1 | |
| SCHEMBL18913824 | 0.82 | TSHR (0.69) | TSHRKCNJ1KCNH2LOXL2SIGMAR1 | |
| SCHEMBL30758863 | 0.82 | TSHR (0.69) | TSHRKCNJ1KCNH2LOXL2SIGMAR1 | |
| SCHEMBL19766405 | 0.82 | CYP19A1 (0.42) | TSHRKCNJ1SIGMAR1ALDH1A1POLB | |
| SCHEMBL8675927 | 0.80 | TSHR (0.54) | TSHRSIGMAR1ALDH1A1CYP2C19POLB | |
| SCHEMBL29819537 | 0.80 | HDAC1 (0.43) | TSHRALDH1A1 | |
| SCHEMBL1119530 | 0.79 | TSHR (0.60) | TSHRKCNJ1KCNH2LOXL2SIGMAR1 | |
| SCHEMBL3292782 | 0.78 | TSHR (0.75) | TSHRKCNJ1KCNH2LOXL2HRH3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321327-A1 | ZWITTERIONIC PHOSPHONIUM SALTS | The Royal Institution for the Advancement of Learning / McGill University (CA) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012096-A1 | ZWITTERIONIC PHOSPHONIUM SALTS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2010-02-04 | — | — | WO | disclosed |